4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C14H26OSi — CID 59309306

IUPAC4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C14H26OSi/c1-5-6-13-7-9-14(15,10-8-13)11-12-16(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyIHLIOLJKEFSZLW-UHFFFAOYSA-N
MW238.45 g/mol
LogP3.59
Rot. Bonds2

About 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 59309306) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID59309306
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C14H26OSi/c1-5-6-13-7-9-14(15,10-8-13)11-12-16(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyIHLIOLJKEFSZLW-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 59309306) is 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is CCCC1CCC(O)(C#C[Si](C)(C)C)CC1.
What is the InChIKey of 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is IHLIOLJKEFSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-5-6-13-7-9-14(15,10-8-13)11-12-16(2,3)4/h13,15H,5-10H2,1-4H3.
What are the key properties of 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 238.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 59309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).